ethyl 2-cyano-4-(2-methylphenyl)-5-oxidanylidene-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 2-cyano-4-(2-methylphenyl)-5-oxidanylidene-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 2-cyano-4-(o-tolyl)-5-oxo-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate CAS Name: 2-cyano-4-(2-methylphenyl)-5-oxo-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-4-(2-methylphenyl)-5-oxo-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylate Traditional Name: 2-cyano-5-keto-4-(o-tolyl)-4,7-dihydro-1H-thieno[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C)C(=O)SC2)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C)C(=O)SC2)C#N

InChI

InChI=1S/C18H16N2O3S/c1-3-23-17(21)15-12(8-19)20-13-9-24-18(22)16(13)14(15)11-7-5-4-6-10(11)2/h4-7,14,20H,3,9H2,1-2H3